SCHEMBL986239

SCHEMBL986239

COc1ccc(Cc2nc3cc(N)cnc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TYMP P19971 1/20 0.40
FGFR3 P22607 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13607772 0.85 GRIN1 (0.47) GRIN1GRIN2BSMN1; SMN2LMNAPOLB
SCHEMBL986302 0.83 MAPT (0.44) GRIN1GRIN2BSMN1; SMN2NPC1LMNA
SCHEMBL986423 0.83 NPC1 (0.44) GRIN1GRIN2BSMN1; SMN2NPC1LMNA
SCHEMBL4237789 0.82 GRIN1 (0.46) GRIN1GRIN2BSMN1; SMN2NPC1LMNA
SCHEMBL13607895 0.81 GRIN1 (0.53) GRIN1GRIN2BSMN1; SMN2NPC1LMNA
SCHEMBL6941907 0.81 ALDH1A1 (0.47) GRIN1GRIN2BLMNAPOLBCYP2D6
SCHEMBL30770822 0.80 FGFR3 (0.40) FGFR3
SCHEMBL986665 0.80 GRIN1 (0.49) GRIN1GRIN2BSMN1; SMN2NPC1LMNA
SCHEMBL13607922 0.80 GRIN1 (0.51) GRIN1GRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL31154394 0.79 NPC1 (0.59) GRIN1GRIN2BSMN1; SMN2NPC1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF GRIN1 4118/4885GRIN2B 4252/4885SMN1; SMN2 2594/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.